Structure of PDB 8ch4 Chain D Binding Site BS01

Receptor Information
>8ch4 Chain D (length=183) Species: 722413 (Bradyrhizobium sp. JS329) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMKWSNKDGYPWSKIIHAEKFFDKVIQNDTRPGKWEWADVVSGLRDLDKD
PRMNSERRYVAIVNEDVGLGETKGIGITPGLFCGCQLIHPGEEVTSHRHN
SVALYFIVEGTGELEVEGEVYSYKPFDIMTCPAWSYHAWRATGDKDTLMY
VIHDMALLAYMRALFWEEPKGSENIRHMVKGST
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8ch4 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ch4 Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H96 H98 H136
Binding residue
(residue number reindexed from 1)		H97 H99 H137
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.64: 5-nitrosalicylate dioxygenase.
Gene Ontology
Molecular Function
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:8ch4, PDBe:8ch4, PDBj:8ch4
PDBsum8ch4
PubMed37326584
UniProtD3WZ86|NAAB_BRASZ 5-nitrosalicylic acid 1,2-dioxygenase (Gene Name=naaB)

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